2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide

C13H18N2O3S — CID 2985758

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
SMILESCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-2-15(10-13(16)14-11-8-9-11)19(17,18)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16)
InChIKeyGLGUKOJZYGZAAZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.98
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide

2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide (PubChem CID 2985758) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
PubChem CID2985758
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
SMILESCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-2-15(10-13(16)14-11-8-9-11)19(17,18)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16)
InChIKeyGLGUKOJZYGZAAZ-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-cyclopropylacetamide
CID 126034868
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18274802
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide (CID 2985758) is 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide is CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide?
The InChIKey is GLGUKOJZYGZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-15(10-13(16)14-11-8-9-11)19(17,18)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide?
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide has a molecular weight of 282.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 2985758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).